Cas no 646055-98-3 (Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine])

Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] structure
646055-98-3 structure
Product Name:Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
CAS No:646055-98-3
MF:C9H16N2
MW:152.236742019653
CID:421738
PubChem ID:22291204
Update Time:2025-04-19

Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] Chemical and Physical Properties

Names and Identifiers

    • Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
    • Spiro[1-azabicyclo[2.2.1]heptane-7,3-pyrrolidine] (9CI)
    • DTXSID30624435
    • SCHEMBL1616625
    • 646055-98-3
    • Inchi: 1S/C9H16N2/c1-5-11-6-2-8(1)9(11)3-4-10-7-9/h8,10H,1-7H2
    • InChI Key: KRMSXHMBJVUIRD-UHFFFAOYSA-N
    • SMILES: N12CCC(CC1)C12CNCC1

Computed Properties

  • Exact Mass: 152.13148
  • Monoisotopic Mass: 152.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • PSA: 15.27
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